CID 19910813

2413884-99-6

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

C1CC(CCC(C1)N)N

InChI

InChI=1S/C7H16N2/c8-6-2-1-3-7(9)5-4-6/h6-7H,1-5,8-9H2

InChIKey

LTYYPHXVTIFFLQ-UHFFFAOYSA-N

Compound name

cycloheptane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 128.13135 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	129.13863	125.5
[M+Na]+	151.12057	132.5
[M+NH4]+	146.16517	133.6
[M+K]+	167.09451	129.0
[M-H]-	127.12407	128.1
[M+Na-2H]-	149.10602	130.4
[M]+	128.13080	126.9
[M]-	128.13190	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe